SCHEMBL6134416

SCHEMBL6134416

CC(C)CCOc1cccc(-c2nc(N)ncc2-c2ccc(=O)n(C(C)C)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.42
ADORA2A P29274 6/20 0.42
HRH3 Q9Y5N1 1/20 0.36
ABL1 P00519 3/20 0.36
SRC P12931 3/20 0.36
HCK P08631 2/20 0.36
PIK3CD O00329 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
SLC5A1 P13866 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6133797 0.92 ADORA1 (0.43) ADORA1ADORA2AHRH3ABL1SRC
SCHEMBL6133860 0.91 ADORA1 (0.42) ADORA1ADORA2AHRH3ABL1SRC
SCHEMBL6135205 0.91 ADORA1 (0.44) ADORA1ADORA2AHRH3ABL1SRC
SCHEMBL6133991 0.91 SRC (0.43) ADORA1ADORA2AHRH3ABL1SRC
SCHEMBL6133511 0.91 ADORA1 (0.43) ADORA1ADORA2AABL1SRCHCK
SCHEMBL6133501 0.90 ADORA1 (0.41) ADORA1ADORA2AHRH3ABL1SRC
SCHEMBL6135106 0.90 LMNA (0.45) ADORA1ADORA2AABL1SRCHCK
SCHEMBL6133616 0.89 DHFR (0.43) ADORA1ADORA2AHRH3ABL1SRC
SCHEMBL6133628 0.89 ADORA2A (0.47) ADORA1ADORA2A
SCHEMBL6135983 0.89 HRH3 (0.44) ADORA1ADORA2AHRH3ABL1SRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885HRH3 367/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.